4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline

C18H27N3 — CID 79612301

IUPAC4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
SMILESCCn1c(C)cc(CNc2ccc(CN(C)C)cc2)c1C
InChIInChI=1S/C18H27N3/c1-6-21-14(2)11-17(15(21)3)12-19-18-9-7-16(8-10-18)13-20(4)5/h7-11,19H,6,12-13H2,1-5H3
InChIKeyDFQYLZLMOIKKNY-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.80
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline

4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline (PubChem CID 79612301) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
PubChem CID79612301
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
SMILESCCn1c(C)cc(CNc2ccc(CN(C)C)cc2)c1C
InChIInChI=1S/C18H27N3/c1-6-21-14(2)11-17(15(21)3)12-19-18-9-7-16(8-10-18)13-20(4)5/h7-11,19H,6,12-13H2,1-5H3
InChIKeyDFQYLZLMOIKKNY-UHFFFAOYSA-N
XLogP3.80
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-propan-2-ylaniline
CID 79605539
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 79611429
4-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 79611433
4-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788614
3-bromo-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-fluoroaniline
CID 104776031
4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline
CID 62392123
4-chloro-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-3-methoxyaniline
CID 107621337
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-3-propan-2-ylaniline
CID 79605545
5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-fluorobenzonitrile
CID 79604848
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,5-dimethylaniline
CID 79604328
4-[2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]ethyl]phenol
CID 79605084
N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 43747278

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline (CID 79612301) is 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline is CCn1c(C)cc(CNc2ccc(CN(C)C)cc2)c1C.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is DFQYLZLMOIKKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-21-14(2)11-17(15(21)3)12-19-18-9-7-16(8-10-18)13-20(4)5/h7-11,19H,6,12-13H2,1-5H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline?
4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 285.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 79612301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).